KTmF4
Alexandria ALEXAlex-ID: agm005803656 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_370_spg62
KTmF4
2023-07-28 07:26:11.255186
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803656).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005803656
data_agm005803656
_cell_length_a 3.56050
_cell_length_b 6.06437
_cell_length_c 15.50754
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 334.84201
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.75000 0.77541 0.79870 1.00000
K2 K 0.25000 0.22459 0.20130 1.00000
K3 K 0.25000 0.72459 0.29870 1.00000
K4 K 0.75000 0.27541 0.70130 1.00000
Tm1 Tm 0.75000 0.24964 0.44195 1.00000
Tm2 Tm 0.25000 0.75036 0.55805 1.00000
Tm3 Tm 0.25000 0.25036 0.94195 1.00000
Tm4 Tm 0.75000 0.74964 0.05805 1.00000
F1 F 0.75000 0.89087 0.62867 1.00000
F2 F 0.25000 0.10913 0.37133 1.00000
F3 F 0.25000 0.60913 0.12867 1.00000
F4 F 0.75000 0.39087 0.87133 1.00000
F5 F 0.75000 0.86751 0.46399 1.00000
F6 F 0.25000 0.13249 0.53601 1.00000
F7 F 0.25000 0.63249 0.96399 1.00000
F8 F 0.75000 0.36751 0.03601 1.00000
F9 F 0.75000 0.99610 0.94436 1.00000
F10 F 0.25000 0.00390 0.05564 1.00000
F11 F 0.25000 0.50390 0.44436 1.00000
F12 F 0.75000 0.49610 0.55564 1.00000
F13 F 0.75000 0.90312 0.18532 1.00000
F14 F 0.25000 0.09688 0.81468 1.00000
F15 F 0.25000 0.59688 0.68532 1.00000
F16 F 0.75000 0.40312 0.31468 1.00000
